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Home > Encyclopedia > 1,1-Dimethylethyl 3,5-dinitrobenzoate

1,1-Dimethylethyl 3,5-dinitrobenzoate

1,1-Dimethylethyl 3,5-dinitrobenzoate structure

1,1-Dimethylethyl 3,5-dinitrobenzoate 

structure
  • CAS No:

    5342-97-2

  • Formula:

    C11H12N2O6

  • Chemical Name:

    1,1-Dimethylethyl 3,5-dinitrobenzoate

  • Synonyms:

    Benzoic acid,3,5-dinitro-,1,1-dimethylethyl ester;Benzoic acid,3,5-dinitro-,tert-butyl ester;tert-Butyl alcohol,3,5-dinitrobenzoate;1,1-Dimethylethyl 3,5-dinitrobenzoate;tert-Butyl 3,5-dinitrobenzoate;NSC 3686

1,1-Dimethylethyl 3,5-dinitrobenzoate Basic Attributes

268.22300

268.22

3686

DTXSID50277720

2916399090

Characteristics

117.94000

3.50470

1.337 g/cm3

142.5-143.5 °C

376.5ºC at 760 mmHg

161.3ºC

1.561

Computed Properties

Molecular Weight:268.22
XLogP3:2.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:268.06953611
Monoisotopic Mass:268.06953611
Topological Polar Surface Area:118
Heavy Atom Count:19
Complexity:356
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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